Basic Information | Post buying leads | Suppliers |
Name |
2,6-Dimethyl-4-fluorobenzoic acid ethyl ester |
EINECS | N/A |
CAS No. | 773135-70-9 | Density | 1.087 g/cm3 |
PSA | 26.30000 | LogP | 2.61920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13FO2 | Boiling Point | 241.13 °C at 760 mmHg |
Molecular Weight | 196.2181 | Flash Point | 96.83 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ethyl 4-fluoro-2,6-dimethylbenzoate; |
The 2,6-Dimethyl-4-fluorobenzoic acid ethyl ester, with the CAS registry number 773135-70-9, has the systematic name and IUPAC name of ethyl 4-fluoro-2,6-dimethyl-benzoate. And the molecular formula of the chemical is C11H13FO2.
The characteristics of 2,6-Dimethyl-4-fluorobenzoic acid ethyl ester are as followings: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.515; (4)ACD/LogD (pH 7.4): 3.515; (5)ACD/BCF (pH 5.5): 276.189; (6)ACD/BCF (pH 7.4): 276.189; (7)ACD/KOC (pH 5.5): 1945.457; (8)ACD/KOC (pH 7.4): 1945.457; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 52.303 cm3; (15)Molar Volume: 180.593 cm3; (16)Polarizability: 20.734×10-24cm3; (17)Surface Tension: 33.453 dyne/cm; (18)Density: 1.087 g/cm3; (19)Flash Point: 96.83 °C; (20)Enthalpy of Vaporization: 47.807 kJ/mol; (21)Boiling Point: 241.13 °C at 760 mmHg; (22)Vapour Pressure: 0.037 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c1c(cc(cc1C)F)C
(2)InChI: InChI=1/C11H13FO2/c1-4-14-11(13)10-7(2)5-9(12)6-8(10)3/h5-6H,4H2,1-3H3
(3)InChIKey: IBVPOZMSDKBUMP-UHFFFAOYAU